(2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide

C23H20ClNO2 — CID 98001096

IUPAC(2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H20ClNO2/c1-15-11-12-20(24)14-21(15)25-23(27)16(2)18-9-6-10-19(13-18)22(26)17-7-4-3-5-8-17/h3-14,16H,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyPOOAOQDDJOENCY-MRXNPFEDSA-N
MW377.87 g/mol
LogP5.62
Rot. Bonds5

About (2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide

(2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide (PubChem CID 98001096) has the molecular formula C23H20ClNO2 and a molecular weight of 377.87 g/mol. Its IUPAC name is (2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide
PubChem CID98001096
Molecular FormulaC23H20ClNO2
Molecular Weight377.87 g/mol
Exact Mass377.12
IUPAC Name(2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H20ClNO2/c1-15-11-12-20(24)14-21(15)25-23(27)16(2)18-9-6-10-19(13-18)22(26)17-7-4-3-5-8-17/h3-14,16H,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyPOOAOQDDJOENCY-MRXNPFEDSA-N
XLogP5.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.87
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 1019515
(2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 100913472
(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide
CID 1019404
ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate
CID 4101602
(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide
CID 837003
(2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide
CID 896234
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
CID 66964934
CID 66964934
CID 157056025
CID 157056025

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide (CID 98001096) is (2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide is Cc1ccc(Cl)cc1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of (2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide?
The InChIKey is POOAOQDDJOENCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H20ClNO2/c1-15-11-12-20(24)14-21(15)25-23(27)16(2)18-9-6-10-19(13-18)22(26)17-7-4-3-5-8-17/h3-14,16H,1-2H3,(H,25,27)/t16-/m1/s1.
What are the key properties of (2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide?
(2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide has a molecular weight of 377.87 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 98001096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).